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Information × Registration Number 0207U005976, 0106U008207 , R & D reports Title The research of physico-chemical and catalytic properties of the nanosystem of transitional deformed metal-environment by means of quantum-chemical and molecular-dynamical methods popup.stage_title Head Pokhmurskii Vasyl Ivanovych, Registration Date 09-08-2007 Organization Karpenko Physico-Mechanical Institute of the National Academy of Sciences of Ukraine popup.description2 The geometrical and electronic structures of high-symmetric stable nanoclusters of Fe375О28, Cr375О28 and Ti396О32 are studied. These nanoclusters can come forward as nanocatalysts оf oxidization of hydrocarbons and alcohols. It is proposed to use the Fe375 and Cr375 nanoclusters as effective (10-30%) substitutes of catalysts of oxidization of simple organic compounds (hydrocarbons and alcohols) of noble nanoclusters metals (palladium and platinum). The elastic deformation (0-3 %) of nanoclusters and its influence on catalytic properties of nanoclusters at co-operating with the molecules of environment are investigated. The growth of heat adsorption (0.5-6 %), decrease of activating barriers (1 - 15 %) of surface processes and increase of quantitative output of basic products of catalytic reactions (2-20 %) are founded. Product Description popup.authors popup.nrat_date 2020-04-02 Close